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2ABO
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BU of 2abo by Molmil
NMR structure of gamma herpesvirus 68 a viral Bcl-2 homolog
Descriptor: bcl-2 homolog
Authors:Loh, J, Huang, Q, Petros, A.M, Nettesheim, D, van Dyk, L.F, Labrada, L, Speck, S.H, Levine, B, Olejniczak, E.T, Virgin, H.W.
Deposit date:2005-07-15
Release date:2006-05-16
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:A surface groove essential for viral Bcl-2 function during chronic infection in vivo.
Plos Pathog., 1, 2005
2AD1
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BU of 2ad1 by Molmil
Human Sulfotransferase SULT1C2
Descriptor: Sulfotransferase 1C2
Authors:Dong, A, Dombrovski, L, Loppnau, P, Edwards, A.M, Arrowsmith, C.H, Weigelt, J, Sundstrom, M, Bochkarev, A, Plotnikov, A.N, Structural Genomics Consortium (SGC)
Deposit date:2005-07-19
Release date:2005-08-02
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (2 Å)
Cite:Structural and chemical profiling of the human cytosolic sulfotransferases.
Plos Biol., 5, 2007
2AEF
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BU of 2aef by Molmil
Crystal Structures of the MthK RCK Domain in Ca2+ bound form
Descriptor: CALCIUM ION, Calcium-gated potassium channel mthK
Authors:Dong, J, Shi, N, Berke, I, Chen, L, Jiang, Y.
Deposit date:2005-07-22
Release date:2005-10-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structures of the MthK RCK Domain and the Effect of Ca2+ on Gating Ring Stability
J.Biol.Chem., 280, 2005
2AEO
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BU of 2aeo by Molmil
Crystal structure of cisplatinated bovine Cu,Zn superoxide dismutase
Descriptor: COPPER (II) ION, Cisplatin, Superoxide dismutase [Cu-Zn], ...
Authors:Calderone, V, Casini, A, Mangani, S, Messori, L, Orioli, P.L.
Deposit date:2005-07-23
Release date:2006-05-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.8 Å)
Cite:Structural investigation of cisplatin-protein interactions: selective platination of His19 in a cuprozinc superoxide dismutase.
Angew. Chem. Int. Ed. Engl., 45, 2006
1ZVY
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BU of 1zvy by Molmil
Crystal structure of the VHH D3-L11 in complex with hen egg white lysozyme
Descriptor: GLYCEROL, Immunoglobulin heavy chain antibody variable domain, Lysozyme C, ...
Authors:De Genst, E, Silence, K, Decanniere, K, Conrath, K, Loris, R, Kinne, J, Muyldermans, S, Wyns, L.
Deposit date:2005-06-03
Release date:2006-04-04
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.63 Å)
Cite:Molecular basis for the preferential cleft recognition by dromedary heavy-chain antibodies.
Proc.Natl.Acad.Sci.Usa, 103, 2006
2A52
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BU of 2a52 by Molmil
fluorescent protein asFP595, S158V, on-state
Descriptor: GFP-like non-fluorescent chromoprotein FP595 chain 1, GFP-like non-fluorescent chromoprotein FP595 chain 2
Authors:Andresen, M, Wahl, M.C, Stiel, A.C, Graeter, F, Schaefer, L, Trowitzsch, S, Weber, G, Eggeling, C, Grubmueller, H, Hell, S.W, Jakobs, S.
Deposit date:2005-06-30
Release date:2005-08-16
Last modified:2021-11-10
Method:X-RAY DIFFRACTION (1.7 Å)
Cite:Structure and mechanism of the reversible photoswitch of a fluorescent protein
Proc.Natl.Acad.Sci.Usa, 102, 2005
2A0C
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BU of 2a0c by Molmil
Human CDK2 in complex with olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Descriptor: 2-{[(2-{[(1R)-1-(HYDROXYMETHYL)PROPYL]AMINO}-9-ISOPROPYL-9H-PURIN-6-YL)AMINO]METHYL}PHENOL, Cell division protein kinase 2
Authors:Krystof, V, McNae, I.W, Walkinshaw, M.D, Fischer, P.M, Muller, P, Vojtesek, B, Orsag, M, Havlicek, L, Strnad, M.
Deposit date:2005-06-16
Release date:2006-01-24
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (1.95 Å)
Cite:Antiproliferative activity of olomoucine II, a novel 2,6,9-trisubstituted purine cyclin-dependent kinase inhibitor
Cell.Mol.Life Sci., 62, 2005
2A4E
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BU of 2a4e by Molmil
Crystal structure of mouse cadherin-11 EC1-2
Descriptor: CALCIUM ION, Cadherin-11
Authors:Patel, S.D, Ciatto, C, Chen, C.P, Bahna, F, Arkus, N, Rajebhosale, M, Jessell, T.M, Honig, B, Price, S.R, Shapiro, L.
Deposit date:2005-06-28
Release date:2006-04-25
Last modified:2023-08-23
Method:X-RAY DIFFRACTION (3.2 Å)
Cite:Type II cadherin ectodomain structures: implications for classical cadherin specificity.
Cell(Cambridge,Mass.), 124, 2006
2A8J
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BU of 2a8j by Molmil
Crystal Structure of human Taspase1 (acivated form)
Descriptor: CHLORIDE ION, Threonine aspartase 1
Authors:Khan, J.A, Dunn, B.M, Tong, L.
Deposit date:2005-07-08
Release date:2005-10-25
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:Crystal Structure of Human Taspase1, a Crucial Protease Regulating the Function of MLL.
Structure, 13, 2005
4HXG
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BU of 4hxg by Molmil
Pyrococcus horikoshii acylaminoacyl peptidase (orthorhombic crystal form)
Descriptor: CHLORIDE ION, HEXANE-1,6-DIOL, MAGNESIUM ION, ...
Authors:Kiss-Szeman, A, Menyhard, D.K, Tichy-Racs, E, Hornung, B, Radi, K, Szeltner, Z, Domokos, K, Szamosi, I, Naray-Szabo, G, Polgar, L, Harmat, V.
Deposit date:2012-11-09
Release date:2013-05-08
Last modified:2023-09-20
Method:X-RAY DIFFRACTION (2.7 Å)
Cite:A Self-compartmentalizing Hexamer Serine Protease from Pyrococcus Horikoshii: SUBSTRATE SELECTION ACHIEVED THROUGH MULTIMERIZATION.
J.Biol.Chem., 288, 2013
2PJT
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BU of 2pjt by Molmil
Crystal structure of the catalytic domain of MMP-13 complexed with WAY-344
Descriptor: CALCIUM ION, Collagenase 3, TERT-BUTYL 4-({[4-(BUT-2-YN-1-YLAMINO)PHENYL]SULFONYL}METHYL)-4-[(HYDROXYAMINO)CARBONYL]PIPERIDINE-1-CARBOXYLATE, ...
Authors:Xu, Z, Huang, A, Lovering, F, Levin, J.I, Mosyak, L.
Deposit date:2007-04-16
Release date:2008-04-22
Last modified:2023-08-30
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Structure-based design of TACE selective inhibitors: manipulations in the S1'-S3' pocket.
Bioorg.Med.Chem., 15, 2007
2MU3
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BU of 2mu3 by Molmil
Spider wrapping silk fibre architecture arising from its modular soluble protein precursor
Descriptor: Aciniform spidroin 1
Authors:Xu, L, Tremblay, M, Meng, Q, Liu, X, Rainey, J.K, Lefevre, T, Sarker, M, Orrell, K.E, Leclerc, J, Pezolet, M, Auger, M.
Deposit date:2014-09-03
Release date:2015-07-08
Last modified:2024-05-15
Method:SOLUTION NMR
Cite:Spider wrapping silk fibre architecture arising from its modular soluble protein precursor.
Sci Rep, 5, 2015
2PID
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BU of 2pid by Molmil
Crystal structure of human mitochondrial tyrosyl-tRNA synthetase in complex with an adenylate analog
Descriptor: 5'-O-[N-(L-TYROSYL)SULFAMOYL]ADENOSINE, Tyrosyl-tRNA synthetase
Authors:Bonnefond, L, Frugier, M, Touze, E, Lorber, B, Florentz, C, Giege, R, Sauter, C, Rudinger-Thirion, J.
Deposit date:2007-04-13
Release date:2007-10-23
Last modified:2024-03-13
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal Structure of Human Mitochondrial Tyrosyl-tRNA Synthetase Reveals Common and Idiosyncratic Features.
Structure, 15, 2007
1OXD
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BU of 1oxd by Molmil
Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
Descriptor: cyan fluorescent protein cfp
Authors:Hyun Bae, J, Rubini, M, Jung, G, Wiegand, G, Seifert, M.H, Azim, M.K, Kim, J.S, Zumbusch, A, Holak, T.A, Moroder, L, Huber, R, Budisa, N.
Deposit date:2003-04-02
Release date:2003-12-02
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (1.15 Å)
Cite:Expansion of the Genetic Code Enables Design of a Novel "Gold" Class of Green Fluorescent Proteins
J.Mol.Biol., 328, 2003
5XRA
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BU of 5xra by Molmil
Crystal structure of the human CB1 in complex with agonist AM11542
Descriptor: (2R)-2,3-dihydroxypropyl (9Z)-octadec-9-enoate, (6aR,10aR)-3-(8-bromanyl-2-methyl-octan-2-yl)-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol, CHOLESTEROL, ...
Authors:Hua, T, Vemuri, K, Nikas, P.S, Laprairie, R.B, Wu, Y, Qu, L, Pu, M, Korde, A, Shan, J, Ho, J.H, Han, G.W, Ding, K, Li, X, Liu, H, Hanson, M.A, Zhao, S, Bohn, L.M, Makriyannis, A, Stevens, R.C, Liu, Z.J.
Deposit date:2017-06-08
Release date:2017-07-12
Last modified:2023-11-22
Method:X-RAY DIFFRACTION (2.8 Å)
Cite:Crystal structures of agonist-bound human cannabinoid receptor CB1
Nature, 547, 2017
8TRO
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BU of 8tro by Molmil
Rod from high-resolution phycobilisome quenched by OCP (local refinement)
Descriptor: C-phycocyanin alpha subunit, C-phycocyanin beta subunit, PHYCOCYANOBILIN, ...
Authors:Sauer, P.V, Sutter, M, Cupellini, L.
Deposit date:2023-08-09
Release date:2024-04-17
Method:ELECTRON MICROSCOPY (1.9 Å)
Cite:Structural and quantum chemical basis for OCP-mediated quenching of phycobilisomes.
Sci Adv, 10, 2024
3T42
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BU of 3t42 by Molmil
Human aldose reductase in complex with a nitrile-containing IDD inhibitor
Descriptor: Aldose reductase, CITRIC ACID, NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE, ...
Authors:Xu, L, Cohen, A.E, Boxer, S.G.
Deposit date:2011-07-25
Release date:2011-10-05
Last modified:2023-09-13
Method:X-RAY DIFFRACTION (1.28 Å)
Cite:Electrostatic Fields near the Active Site of Human Aldose Reductase: 2. New Inhibitors and Complications Caused by Hydrogen Bonds.
Biochemistry, 50, 2011
1OMQ
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BU of 1omq by Molmil
Structure of penetratin in bicellar solution
Descriptor: Homeotic antennapedia protein
Authors:Lindberg, M, Biverstahl, H, Graslund, A, Maler, L.
Deposit date:2003-02-26
Release date:2003-07-29
Last modified:2024-05-22
Method:SOLUTION NMR
Cite:Structure and positioning comparison of two variants of penetratin in two different membrane mimicking systems by NMR
Eur.J.Biochem., 270, 2003
4AVE
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BU of 4ave by Molmil
C.lacteus nerve Hb in the deoxy form
Descriptor: ACETATE ION, GLYCEROL, NEURAL HEMOGLOBIN, ...
Authors:Germani, F, Pesce, A, Venturini, A, Moens, L, Bolognesi, M, Dewilde, S, Nardini, M.
Deposit date:2012-05-25
Release date:2013-04-17
Last modified:2023-12-20
Method:X-RAY DIFFRACTION (1.9 Å)
Cite:High Resolution Crystal Structures of the Cerebratulus Lacteus Mini-Hb in the Unligated and Carbomonoxy States.
Int.J.Mol.Sci., 13, 2012
3TEO
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BU of 3teo by Molmil
APO Form of carbon disulfide hydrolase (selenomethionine form)
Descriptor: 3,6,9,12,15,18,21,24,27,30,33,36,39-TRIDECAOXAHENTETRACONTANE-1,41-DIOL, CHLORIDE ION, Carbon disulfide hydrolase
Authors:Smeulders, M.J, Barends, T.R.M.B, Pol, A, Scherer, A, Zandvoort, M.H, Udvarhelyi, A, Khadem, A, Menzel, A, Hermans, J, Shoeman, R.L, Wessels, H.J.C.T, van den Heuvel, L.P, Russ, L, Schlichting, I, Jetten, M.S.M, Op den Camp, H.J.M.
Deposit date:2011-08-15
Release date:2011-10-19
Last modified:2024-10-30
Method:X-RAY DIFFRACTION (2.4 Å)
Cite:Evolution of a new enzyme for carbon disulphide conversion by an acidothermophilic archaeon.
Nature, 478, 2011
1OOW
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BU of 1oow by Molmil
The crystal structure of the spinach plastocyanin double mutant G8D/L12E gives insight into its low reactivity towards photosystem 1 and cytochrome f
Descriptor: COPPER (II) ION, Plastocyanin, chloroplast
Authors:Jansson, H, Okvist, M, Jacobson, F, Ejdeback, M, Hansson, O, Sjolin, L.
Deposit date:2003-03-04
Release date:2004-02-17
Last modified:2023-08-16
Method:X-RAY DIFFRACTION (2 Å)
Cite:The crystal structure of the spinach plastocyanin double mutant G8D/L12E gives insight into its low reactivity towards photosystem 1 and cytochrome f.
Biochim.Biophys.Acta, 1607, 2003
6EOY
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BU of 6eoy by Molmil
Transthyretin in complex with 4-(1,3-Benzothiazol-2-yl)-2-methylaniline
Descriptor: 4-(1,3-benzothiazol-2-yl)-2-methyl-aniline, Transthyretin
Authors:Leite, J.P, Gales, L.
Deposit date:2017-10-10
Release date:2021-10-06
Last modified:2024-01-17
Method:X-RAY DIFFRACTION (1.38 Å)
Cite:Targeting transthyretin in Alzheimer's disease: Drug discovery of small-molecule chaperones as disease-modifying drug candidates for Alzheimer's disease.
Eur.J.Med.Chem., 226, 2021
1P7H
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BU of 1p7h by Molmil
Structure of NFAT1 bound as a dimer to the HIV-1 LTR kB element
Descriptor: 5'-D(*AP*AP*TP*GP*GP*GP*GP*AP*CP*TP*TP*TP*CP*CP*A)-3', 5'-D(*TP*TP*TP*GP*GP*AP*AP*AP*GP*TP*CP*CP*CP*CP*A)-3', Nuclear factor of activated T-cells, ...
Authors:Giffin, M.J, Stroud, J.C, Bates, D.L, von Koenig, K.D, Hardin, J, Chen, L.
Deposit date:2003-05-01
Release date:2003-09-23
Last modified:2024-02-14
Method:X-RAY DIFFRACTION (2.6 Å)
Cite:Structure of NFAT1 bound as a dimer to the HIV-1 LTR kappa B element
Nat.Struct.Biol., 10, 2003
1D1P
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BU of 1d1p by Molmil
CRYSTAL STRUCTURE OF A YEAST LOW MOLECULAR WEIGHT PROTEIN TYROSINE PHOSPHATASE (LTP1)
Descriptor: 4-(2-HYDROXYETHYL)-1-PIPERAZINE ETHANESULFONIC ACID, TYROSINE PHOSPHATASE
Authors:Wang, S, Tabernero, L, Zhang, M, Harms, E, Van Etten, R.L, Stauffacher, C.V.
Deposit date:1999-09-20
Release date:2000-03-08
Last modified:2023-08-09
Method:X-RAY DIFFRACTION (2.2 Å)
Cite:Crystal structures of a low-molecular weight protein tyrosine phosphatase from Saccharomyces cerevisiae and its complex with the substrate p-nitrophenyl phosphate.
Biochemistry, 39, 2000
8AFN
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BU of 8afn by Molmil
Small molecule stabilizer (compound 1) for ERalpha and 14-3-3
Descriptor: 1-[2-(4-chloranylphenoxy)-2-methyl-propanoyl]-~{N}-[2-[2-(dimethylamino)ethyldisulfanyl]ethyl]piperidine-4-carboxamide, 14-3-3 protein sigma, Estrogen receptor, ...
Authors:Kenanova, D.N, Visser, E.J, Virta, J, Sijbesma, E, Centorrino, F, Zhong, M, Vickery, H, Neitz, J, Brunsveld, L, Ottmann, C, Arkin, M.R.
Deposit date:2022-07-18
Release date:2023-04-26
Last modified:2024-10-23
Method:X-RAY DIFFRACTION (1.36 Å)
Cite:A Systematic Approach to the Discovery of Protein-Protein Interaction Stabilizers.
Acs Cent.Sci., 9, 2023

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